(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine

C12H24ClNO — CID 104960003

IUPAC(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine
SMILESCC(CCCl)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H24ClNO/c1-10(4-6-13)5-7-14-8-11(2)15-12(3)9-14/h10-12H,4-9H2,1-3H3/t10?,11-,12+
InChIKeyNKCXKIHPVINFLO-YOGCLGLASA-N
MW233.78 g/mol
LogP2.75
Rot. Bonds5

About (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine

(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine (PubChem CID 104960003) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine
PubChem CID104960003
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine
SMILESCC(CCCl)CCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H24ClNO/c1-10(4-6-13)5-7-14-8-11(2)15-12(3)9-14/h10-12H,4-9H2,1-3H3/t10?,11-,12+
InChIKeyNKCXKIHPVINFLO-YOGCLGLASA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623
1-amino-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-2-ol
CID 104961406
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine
CID 104959123
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
CID 154661277
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60852126
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 81079462
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine (CID 104960003) is (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine is CC(CCCl)CCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine?
The InChIKey is NKCXKIHPVINFLO-YOGCLGLASA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(4-6-13)5-7-14-8-11(2)15-12(3)9-14/h10-12H,4-9H2,1-3H3/t10?,11-,12+.
What are the key properties of (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine has a molecular weight of 233.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 104960003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).